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All data (experiment and calculated) in the CCCBDB for C4H6O (Furan, 2,3-dihydro-)

1907021335
Other names
2,3-Dihydrofuran; 4,5-Dihydrofuran; Furan, 2,3-dihydro-;
INChI
InChI=1S/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H2

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Energies
Entropies
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation      
Energy 0K   227  
Energy 298.15K   223  
Atomization Enthalpy 298.15K x166x
Atomization Enthalpy 0K  170 
Entropy (298.15K) entropy x160x
Entropy at any temperature   160  
Integrated Heat Capacity integrated heat capacity x160x
Heat Capacity (Cp) Heat capacity x160x
Nuclear Repulsion Energy   212  
HOMO-LUMO Energies HOMO energies   209  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  187  
Internal Coordinates bond lengths bond angles  186 
Products of moments of inertia moments of inertia  206 
Rotational Constants rotational constants  211 
Point Group  211 
Vibrations Vibrational Frequencies vibrations fun. 210x
Vibrational Intensities  217 
Zero-point energies x210x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   0  
Electronic States Electronic states x 0  
Electrostatics Atom charges   178  
Dipole dipole  182 
Quadrupole quadrupole  122 
Polarizability polarizability  163 
Other results Spin   0  
Number of basis functions   7  
Conformations   1